1. Environmental Control of Single‐Molecule Junction Evolution and Conductance: A Case Study of Expanded Pyridinium Wiring
- Author
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Gábor Mészáros, Philippe P. Lainé, Jakub Šebera, Viliam Kolivoška, Štěpánka Nováková Lachmanová, Magdaléna Hromadová, Jindřich Gasior, Grégory Dupeyre, J. Heyrovský Institute of Physical Chemistry of the ASCR, Czech Academy of Sciences [Prague] (CAS), Division of Livestock Sciences, Universität für Bodenkultur Wien [Vienne, Autriche] (BOKU), Interfaces, Traitements, Organisation et Dynamique des Systèmes (ITODYS (UMR_7086)), and Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Paris (UP)
- Subjects
expanded pyridiniums ,Materials science ,02 engineering and technology ,Substrate (electronics) ,010402 general chemistry ,01 natural sciences ,Catalysis ,law.invention ,chemistry.chemical_compound ,law ,Water environment ,[CHIM]Chemical Sciences ,Molecule ,ComputingMilieux_MISCELLANEOUS ,Research Articles ,010405 organic chemistry ,Conductance ,Molecular electronics ,General Medicine ,General Chemistry ,021001 nanoscience & nanotechnology ,solvent gating ,0104 chemical sciences ,chemistry ,Chemical physics ,single-molecule conductance ,scanning tunneling microscopy ,Pyridinium ,Molecular Electronics ,Scanning tunneling microscope ,0210 nano-technology ,Break junction ,Research Article - Abstract
Environmental control of single‐molecule junction evolution and conductance was demonstrated for expanded pyridinium molecules by scanning tunneling microscopy break junction method and interpreted by quantum transport calculations including solvent molecules explicitly. Fully extended and highly conducting molecular junctions prevail in water environment as opposed to short and less conducting junctions formed in non‐solvating mesitylene. A theoretical approach correctly models single‐molecule conductance values considering the experimental junction length. Most pronounced difference in the molecular junction formation and conductance was identified for a molecule with the highest stabilization energy on the gold substrate confirming the importance of molecule–electrode interactions. Presented concept of tuning conductance through molecule–electrode interactions in the solvent‐driven junctions can be used in the development of new molecular electronic devices., Single‐molecule junction conductance can be efficiently tuned by solvent environment. A series of expanded pyridinium molecular wires gave higher conductance with fully extended junction geometries in solvating water environment as opposed to mesitylene solvent. Environmental control efficiently operates the molecule–electrode interactions.
- Published
- 2021